D035-0125 Screening compound: 3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D035-0125 Screening compound: 3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D035-0125 Screening compound: 3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D035-0125
3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D035-0125

Molecular Formula

C15H16N4OS2 (C15 H16 N4 OS2)

Compound Name

3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

3-benzyl-7-(butylsulfanyl)-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CCCCSC(SC1=NN=C2Cc3ccccc3)=NN1C2=O

InChI

InChI=1S/C15H16N4OS2/c1-2-3-9-21-15-18-19-13(20)12(16-17-14(19)22-15)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

InChI Key

XFNQXQBWDFSDRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.43

Polar Surface Area

48.420

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D035-0125 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D035-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D035-0125?
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What is the minimum amount of D035-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D035-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D035-0125
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D035-0125 available by request